2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide

C17H15N3S — CID 62370127

IUPAC2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCc2cccc3ccccc23)c1
InChIInChI=1S/C17H15N3S/c18-17(21)13-8-9-19-16(10-13)20-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKeyDCHUMHPEENKLOA-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.48
Rot. Bonds4

About 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide

2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide (PubChem CID 62370127) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
PubChem CID62370127
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCc2cccc3ccccc23)c1
InChIInChI=1S/C17H15N3S/c18-17(21)13-8-9-19-16(10-13)20-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKeyDCHUMHPEENKLOA-UHFFFAOYSA-N
XLogP3.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbothioamide
CID 62881671
2-(benzylamino)pyridine-4-carbothioamide
CID 24710183
2-[(4-ethylphenyl)methylamino]pyridine-4-carbothioamide
CID 106899895
2-(1,2-oxazol-3-ylmethylamino)pyridine-4-carbothioamide
CID 81177193
2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide
CID 106418162
2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide
CID 24696486
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 114183854
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 55112812
6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide
CID 81426768
2-[(3-chloro-4-fluorophenyl)methylamino]pyridine-4-carbothioamide
CID 62538283
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 62979400
2-(2-methoxypropylamino)pyridine-4-carbothioamide
CID 102698285

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide (CID 62370127) is 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide is NC(=S)c1ccnc(NCc2cccc3ccccc23)c1.
What is the InChIKey of 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide?
The InChIKey is DCHUMHPEENKLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c18-17(21)13-8-9-19-16(10-13)20-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-10H,11H2,(H2,18,21)(H,19,20).
What are the key properties of 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide?
2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide has a molecular weight of 293.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 62370127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).